2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide

C18H23ClN2O — CID 9032255

IUPAC2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O/c19-15-1-3-16(4-2-15)21-17(22)11-20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,21,22)
InChIKeyRAGSEWJRAYTCEA-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.84
Rot. Bonds4

About 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide

2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide (PubChem CID 9032255) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
PubChem CID9032255
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O/c19-15-1-3-16(4-2-15)21-17(22)11-20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,21,22)
InChIKeyRAGSEWJRAYTCEA-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
CID 7666269
2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7666250
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040
1-(1-adamantyl)-2-(4-chloroanilino)ethanone
CID 59322088
2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
CID 7536728
2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 7666468
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722
N-(4-chlorophenyl)-2-[(1-ethylcyclopropyl)methylamino]acetamide
CID 114099958
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
2-(1-adamantylamino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 7666448

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide (CID 9032255) is 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide is O=C(CNC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide?
The InChIKey is RAGSEWJRAYTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c19-15-1-3-16(4-2-15)21-17(22)11-20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14,20H,5-11H2,(H,21,22).
What are the key properties of 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide?
2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide has a molecular weight of 318.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 9032255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).